2-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-acetamido-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-acetamido-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-acetamido-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-acetamido-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)acetamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CNC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)CNC(=O)C

InChI

InChI=1S/C24H32N4O2/c1-19-6-3-4-8-23(19)18-27-12-9-21(10-13-27)16-28(24(30)15-26-20(2)29)17-22-7-5-11-25-14-22/h3-8,11,14,21H,9-10,12-13,15-18H2,1-2H3,(H,26,29)/p+1